Sorry Paul for not putting it more clearly.

After running Refmac5 from CCP4i2, I open the mtz file and pdb in COOT.
There I get a warning message (Picture attached). I can get this off if I
turn off the run Molprobity option in CCP4i2. I was just wondering if I can
get any clue to handle this warning in Coot. Or, I should not bother about
it.

Cheers
Prasun
[image: image.png]

PRASUN (ASHOKA)
Desire + stability = Resolution
Resolution + Hard work = Success


On Wed, Nov 3, 2021 at 10:41 PM Paul Emsley <[email protected]>
wrote:

>
> On 03/11/2021 22:28, prasun kumar wrote:
> >
> >
> > I have a structure that has a lot of D-amino acids. When I open the
> > mtz and pdb
> open it in Coot you mean?
> > it shows me C-beta outlier warning (Molprobity Warnig).
> Coot doesn't do that. Are you talking about some other program?
> > I have also downloaded D-amino acids peptides and corresponding mtz
> > files from the PDB and got similar warnings.
>
> I don't follow what you're doing. Coot doesn't run molprobity C-beta
> analysis (it has its own).
>
> Paul.
>
>
>

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